AI13002
120445-83-2 | 2'-Chloroacetophenone semicarbazone
Manufacturer: A2B Chem
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CatalogNumber
AI13002
ChemicalName
2'-Chloroacetophenone semicarbazone
CasNumber
120445-83-2
MolecularFormula
C9H10ClN3O
MolecularWeight
211.6482
MdlNumber
MFCD04109762
Smiles
NC(=O)N/N=C(/c1ccccc1Cl)C
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedBondStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AI13002
ChemicalName: 2'-Chloroacetophenone semicarbazone
CasNumber: 120445-83-2
MolecularFormula: C9H10ClN3O
MolecularWeight: 211.6482
MdlNumber: MFCD04109762
Smiles: NC(=O)N/N=C(/c1ccccc1Cl)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedBondStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AI13002
ChemicalName:
2'-Chloroacetophenone semicarbazone
CasNumber:
120445-83-2
MolecularFormula:
C9H10ClN3O
MolecularWeight:
211.6482
MdlNumber:
MFCD04109762
Smiles:
NC(=O)N/N=C(/c1ccccc1Cl)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedBondStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)/C(=N/NC(=O)N)/C
Complexity: 253
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)/C(=N/NC(=O)N)/C
Complexity:
253
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: AI13004
ChemicalName: 5-(Benzyloxy)-2-fluoropyridine
CasNumber: 1204483-95-3
MolecularFormula: C12H10FNO
MolecularWeight: 203.2123
MdlNumber: MFCD24171051
Smiles: Fc1ccc(cn1)OCc1ccccc1
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedBondStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
AI13004
ChemicalName:
5-(Benzyloxy)-2-fluoropyridine
CasNumber:
1204483-95-3
MolecularFormula:
C12H10FNO
MolecularWeight:
203.2123
MdlNumber:
MFCD24171051
Smiles:
Fc1ccc(cn1)OCc1ccccc1
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedBondStereocenterCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [BH2]#[Ti]#[BH2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[BH2]#[Ti]#[BH2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__